chempirical

Boc-cys(tbu)-oh

C12H23NO4SCAS 56976-06-8277.38 g/mol

Open in Covalent MOL file
OONHSOHO
CarbamateCarboxylic acidSulfide

Properties

Molecular formula
C12H23NO4S
Molar mass
277.38 g/mol
Exact mass
277.1348 Da
logP
2.50Crippen estimate
Polar surface area
75.6 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
4
Stereocentres
Rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
56976-06-8
SMILES
CC(C)(C)OC(=O)N[C@@H](CSC(C)(C)C)C(=O)O
InChIKey
OGARKMDCQCLMCS-QMMMGPOBSA-N
InChI
InChI=1S/C12H23NO4S/c1-11(2,3)17-10(16)13-8(9(14)15)7-18-12(4,5)6/h8H,7H2,1-6H3,(H,13,16)(H,14,15)/t8-/m0/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with Boc-cys(tbu)-oh

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Boc-S-trityl-D-cysteine87494-13-167 % similar Boc-D-abu-oh45121-22-066 % similar (R)-2-((tert-Butoxycarbonyl)amino)-4,4-dimethylpentanoic acid112695-98-464 % similar Boc-L-aspartic acid 4-tert-butyl ester1676-90-064 % similar N-tert-Butyloxycarbonylcysteine20887-95-064 % similar Boc-ser(me)-oh51293-47-164 % similar (2S)-2-(((tert-Butoxy)carbonyl)amino)pentanoic acid53308-95-564 % similar Boc-D-nva-oh57521-85-464 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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